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CAS No.: | 51077-16-8 |
---|---|
Name: | BOC-L-THIAZOLIDINE-4-CARBOXYLIC ACID |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C9H15NO4S |
Molecular Weight: | 233.288 |
Synonyms: | (4R)-3-(tert-Butoxycarbonyl)-1,3-thiazolidine-4-carboxylicacid;N-(tert-Butoxycarbonyl)-L-thioproline;tert-Butyloxycarbonyl-L-thiazolidine-4-carboxylic acid; |
EINECS: | -0 |
Density: | 1.306 g/cm3 |
Melting Point: | 125-131 °C |
Boiling Point: | 385.285 °C at 760 mmHg |
Flash Point: | 186.814 °C |
Solubility: | Insoluble in water. |
Hazard Symbols: | Xi |
Safety: | 22-24/25 |
PSA: | 92.14000 |
LogP: | 1.31890 |
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The systematic name of Boc-L-Thiazolidine-4-carboxylic acid is (4R)-3-(tert-butoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid. With the CAS registry number 51077-16-8, it is also named as 3,4-Thiazolidinedicarboxylicacid, 3-(1,1-dimethylethyl) ester, (R)-. The product's category is Amino Acids. Besides, it is solid, which should be sealed at -20 °C. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes. In addition, its molecular formula is C9H15NO4S and molecular weight is 233.28.
The other characteristics of Boc-L-Thiazolidine-4-carboxylic acid can be summarized as: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 81.14 Å2; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 56.48 cm3; (13)Molar Volume: 178.6 cm3; (14)Polarizability: 22.39×10-24cm3; (15)Surface Tension: 52.7 dyne/cm; (16)Density: 1.305 g/cm3; (17)Flash Point: 186.8 °C; (18)Melting Point: 125-131 °C; (19)Enthalpy of Vaporization: 69.61 kJ/mol; (20)Boiling Point: 385.3 °C at 760 mmHg; (21)Vapour Pressure: 5.26E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)(C)C)N1[C@H](C(=O)O)CSC1
(2)InChI: InChI=1/C9H15NO4S/c1-9(2,3)14-8(13)10-5-15-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
(3)InChIKey: FJWNZTPXVSWUKF-LURJTMIEBJ
(4)Std. InChI: InChI=1S/C9H15NO4S/c1-9(2,3)14-8(13)10-5-15-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
(5)Std. InChIKey: FJWNZTPXVSWUKF-LURJTMIESA-N